(1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

C16H29N3O2 — CID 110199419

IUPAC(1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCCNC(=O)N1CCCCCCN(C)C(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C16H29N3O2/c1-3-17-16(21)19-12-7-5-4-6-11-18(2)15(20)13-9-8-10-14(13)19/h13-14H,3-12H2,1-2H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyLFYINBDWHWXVES-KGLIPLIRSA-N
MW295.43 g/mol
LogP2.22
Rot. Bonds1

About (1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

(1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (PubChem CID 110199419) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
PubChem CID110199419
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCCNC(=O)N1CCCCCCN(C)C(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C16H29N3O2/c1-3-17-16(21)19-12-7-5-4-6-11-18(2)15(20)13-9-8-10-14(13)19/h13-14H,3-12H2,1-2H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyLFYINBDWHWXVES-KGLIPLIRSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide with MolForge

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Related Compounds

N-[2-(cyclopentanecarbonylamino)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 72145133
(1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199279
(1S,11R)-9-methyl-2-(2-methylpropanoyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199390
(1S,11R)-9-methyl-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199397
N-Ethyl-8-oxo-dodecahydro-1H-cyclopenta[B][1,5]diazecine-1-carboxamide
CID 110201607
(1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110199325
9-Oxo-N-propyl-tetradecahydro-1H-1,8-benzodiazacycloundecane-1-carboxamide
CID 110201248
(8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201562
(9aR,12aS)-1-isopentyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
CID 110199292
N-Cyclohexyl-4-[2-(cyclopentylformamido)ethyl]piperidine-1-carboxamide
CID 46381867
1-(1-Cyclopentanecarbonylpyrrolidin-3-YL)-3-ethylurea
CID 53016476
1-(1-Cyclopentanecarbonylpyrrolidin-3-YL)-3-(propan-2-YL)urea
CID 53016497

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The IUPAC name of (1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (CID 110199419) is (1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The canonical SMILES for (1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is CCNC(=O)N1CCCCCCN(C)C(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The InChIKey is LFYINBDWHWXVES-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-17-16(21)19-12-7-5-4-6-11-18(2)15(20)13-9-8-10-14(13)19/h13-14H,3-12H2,1-2H3,(H,17,21)/t13-,14+/m1/s1.
What are the key properties of (1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
(1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-N-ethyl-9-methyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is sourced from PubChem (CID 110199419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).